UCSF

ZINC51719066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 4.79 -43.47 3 2 1 31 255.451 6
Hi High (pH 8-9.5) 2.87 4.61 -1.48 2 2 0 29 254.443 6
Mid Mid (pH 6-8) 2.87 7.12 -27.28 3 2 1 30 255.451 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )